These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
198 related articles for article (PubMed ID: 23850571)
1. SMILES-based quantitative structure-property relationships for half-wave potential of N-benzylsalicylthioamides. Nesmerak K; Toropov AA; Toropova AP; Kohoutova P; Waisser K Eur J Med Chem; 2013 Sep; 67():111-4. PubMed ID: 23850571 [TBL] [Abstract][Full Text] [Related]
2. QSPR modeling of the half-wave potentials of benzoxazines by optimal descriptors calculated with the SMILES. Toropov A; Nesmerak K; Raska I; Waisser K; Palat K Comput Biol Chem; 2006 Dec; 30(6):434-7. PubMed ID: 17092778 [TBL] [Abstract][Full Text] [Related]
3. CORAL: QSPR model of water solubility based on local and global SMILES attributes. Toropov AA; Toropova AP; Benfenati E; Gini G; Leszczynska D; Leszczynski J Chemosphere; 2013 Jan; 90(2):877-80. PubMed ID: 22921649 [TBL] [Abstract][Full Text] [Related]
4. QSPR modelling of dielectric constants of π-conjugated organic compounds by means of the CORAL software. Achary PG SAR QSAR Environ Res; 2014; 25(6):507-26. PubMed ID: 24716837 [TBL] [Abstract][Full Text] [Related]
11. QSPR modeling of enthalpies of formation for organometallic compounds by SMART-based optimal descriptors. Toropov AA; Toropova AP; Benfenati E; Manganaro A J Comput Chem; 2009 Nov; 30(15):2576-82. PubMed ID: 19373829 [TBL] [Abstract][Full Text] [Related]
12. In silico prediction of the β-cyclodextrin complexation based on Monte Carlo method. Veselinović AM; Veselinović JB; Toropov AA; Toropova AP; Nikolić GM Int J Pharm; 2015 Nov; 495(1):404-409. PubMed ID: 26320546 [TBL] [Abstract][Full Text] [Related]
13. Prediction of the adsorption coefficients of some aromatic compounds on multi-wall carbon nanotubes by the Monte Carlo method. Ahmadi S; Akbari A SAR QSAR Environ Res; 2018 Nov; 29(11):895-909. PubMed ID: 30332923 [TBL] [Abstract][Full Text] [Related]
14. SMILES-based QSAR model for arylpiperazines as high-affinity 5-HT(1A) receptor ligands using CORAL. Veselinović AM; Milosavljević JB; Toropov AA; Nikolić GM Eur J Pharm Sci; 2013 Feb; 48(3):532-41. PubMed ID: 23287365 [TBL] [Abstract][Full Text] [Related]
15. QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES. Toropov AA; Toropova AP; Raska I Eur J Med Chem; 2008 Apr; 43(4):714-40. PubMed ID: 17629592 [TBL] [Abstract][Full Text] [Related]
16. Simplified molecular input line entry system-based optimal descriptors: QSAR modelling for voltage-gated potassium channel subunit Kv7.2. Achary PG SAR QSAR Environ Res; 2014; 25(1):73-90. PubMed ID: 24580100 [TBL] [Abstract][Full Text] [Related]
17. QSAR models for toxicity of organic substances to Daphnia magna built up by using the CORAL freeware. Toropova AP; Toropov AA; Benfenati E; Gini G Chem Biol Drug Des; 2012 Mar; 79(3):332-8. PubMed ID: 22136580 [TBL] [Abstract][Full Text] [Related]
18. Simplified molecular input-line entry system and International Chemical Identifier in the QSAR analysis of styrylquinoline derivatives as HIV-1 integrase inhibitors. Toropova AP; Toropov AA; Benfenati E; Gini G Chem Biol Drug Des; 2011 May; 77(5):343-60. PubMed ID: 21352501 [TBL] [Abstract][Full Text] [Related]
19. CORAL: building up the model for bioconcentration factor and defining it's applicability domain. Toropov AA; Toropova AP; Lombardo A; Roncaglioni A; Benfenati E; Gini G Eur J Med Chem; 2011 Apr; 46(4):1400-3. PubMed ID: 21295893 [TBL] [Abstract][Full Text] [Related]